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11.1538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7588 11.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9619 12.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1458 12.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7169 12.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4313 12.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4313 13.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0566 16.2466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6868 14.8663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4733 15.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6764 15.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8603 16.2702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4313 16.2702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1458 16.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1458 17.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1987 7.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8289 6.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6154 7.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8185 7.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 2 13 2 0 9 14 2 0 10 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 12 20 1 0 12 21 2 0 20 64 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 44 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 33 1 0 33 26 1 0 26 31 1 0 32 33 1 0 32 34 1 0 27 35 1 0 28 36 1 0 29 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 53 1 0 53 46 1 0 46 51 1 0 52 53 1 0 52 54 1 0 47 55 1 0 48 56 1 0 49 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 63 65 2 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 73 1 0 73 66 1 0 66 71 1 0 72 73 1 0 72 74 1 0 67 75 1 0 68 76 1 0 69 77 1 0 77 78 1 0 78 79 1 0 79 80 1 0 80 81 1 0 81 82 1 0 82 84 1 0 84 83 2 0 19 84 1 0 1 85 1 0 85 86 1 0 86 87 1 0 87 88 1 0 88 89 1 0 91 92 1 0 93 94 1 0 95 96 1 0 96 97 1 0 97 98 1 0 98 99 1 0 99100 1 0 100101 1 0 101102 1 0 102103 1 0 103104 1 0 104105 1 0 105106 1 0 106107 1 0 107108 1 0 98109 2 0 105110 2 0 106111 1 0 111112 1 0 112113 1 0 113114 1 0 114115 1 0 108116 1 0 108117 2 0 116156 1 0 116118 1 0 118119 1 0 119120 1 0 120121 1 0 121138 1 0 122123 1 0 123124 1 0 124125 1 0 125126 1 0 126128 1 0 128122 1 0 127128 1 0 123129 1 0 124130 1 0 125131 1 0 131132 1 0 132133 1 0 133134 1 0 134135 1 0 135136 1 0 136137 1 0 137138 1 0 137139 2 0 140141 1 0 141142 1 0 142143 1 0 143144 1 0 144146 1 0 146140 1 0 145146 1 0 141147 1 0 142148 1 0 143149 1 0 149150 1 0 150151 1 0 151152 1 0 152153 1 0 153154 1 0 154155 1 0 155156 1 0 155157 2 0 158159 1 0 159160 1 0 160161 1 0 161162 1 0 162164 1 0 164158 1 0 163164 1 0 159165 1 0 160166 1 0 161167 1 0 167168 1 0 168169 1 0 169170 1 0 170171 1 0 171172 1 0 172174 1 0 174173 2 0 115174 1 0 96175 2 0 175176 1 0 176177 2 0 177178 1 0 178 95 2 0 95179 1 0 178180 1 0 177181 1 0 176182 1 0 175183 1 0 163184 1 0 184186 1 0 185186 2 0 186187 1 0 158188 1 0 188190 1 0 189190 2 0 190191 1 0 145192 1 0 192194 1 0 193194 2 0 194195 1 0 140196 1 0 196198 1 0 197198 2 0 198199 1 0 127200 1 0 200202 1 0 201202 2 0 202203 1 0 122204 1 0 204206 1 0 205206 2 0 206207 1 0 208209 1 0 209210 1 0 210211 1 0 210212 2 0 210213 1 0 211215 1 0 214220 1 0 215216 1 0 216217 1 0 217218 1 0 218219 1 0 219220 1 0 221222 1 0 222223 1 0 224225 1 0 225226 1 0 226227 1 0 227228 1 0 228229 1 0 229230 1 0 230231 1 0 231232 1 0 232233 1 0 233234 1 0 234235 1 0 225236 2 0 232237 2 0 233238 1 0 238239 1 0 239240 1 0 240241 1 0 241242 1 0 235243 1 0 235244 2 0 243283 1 0 243245 1 0 245246 1 0 246247 1 0 247248 1 0 248265 1 0 249250 1 0 250251 1 0 251252 1 0 252253 1 0 253255 1 0 255249 1 0 254255 1 0 250256 1 0 251257 1 0 252258 1 0 258259 1 0 259260 1 0 260261 1 0 261262 1 0 262263 1 0 263264 1 0 264265 1 0 264266 2 0 267268 1 0 268269 1 0 269270 1 0 270271 1 0 271273 1 0 273267 1 0 272273 1 0 268274 1 0 269275 1 0 270276 1 0 276277 1 0 277278 1 0 278279 1 0 279280 1 0 280281 1 0 281282 1 0 282283 1 0 282284 2 0 285286 1 0 286287 1 0 287288 1 0 288289 1 0 289291 1 0 291285 1 0 290291 1 0 286292 1 0 287293 1 0 288294 1 0 294295 1 0 295296 1 0 296297 1 0 297298 1 0 298299 1 0 299301 1 0 301300 2 0 242301 1 0 285302 1 0 302304 1 0 303304 2 0 304305 1 0 272306 1 0 306308 1 0 307308 2 0 308309 1 0 267310 1 0 310312 1 0 311312 2 0 312313 1 0 254314 1 0 314316 1 0 315316 2 0 316317 1 0 249318 1 0 318320 1 0 319320 2 0 320321 1 0 290322 1 0 322324 1 0 323324 2 0 324325 1 0 A 11 H N A 36 AcH^N A 56 AcH^N A 76 AcH^N A 93 M A 107 H N A 129 Ac^O A 130 AcH^N A 147 Ac^O A 148 AcH^N A 165 Ac^O A 166 AcH^N A 222 M A 234 H N A 256 Ac^O A 257 AcH^N A 274 Ac^O A 275 AcH^N A 292 Ac^O A 293 AcH^N M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 93 94 M SMT 1 C^M M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 184 185 186 187 M SBL 2 1 186 M SMT 2 OAc M SBV 2 186 -0.5977 -0.1601 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 188 189 190 191 M SBL 3 1 190 M SMT 3 OAc M SBV 3 190 0.0000 -0.6187 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 192 193 194 195 M SBL 4 1 194 M SMT 4 OAc M SBV 4 194 -0.5977 -0.1601 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 4 196 197 198 199 M SBL 5 1 198 M SMT 5 OAc M SBV 5 198 0.0000 -0.6187 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 4 200 201 202 203 M SBL 6 1 202 M SMT 6 OAc M SBV 6 202 -0.5977 -0.1601 M STY 1 7 SUP M SLB 1 7 7 M SAL 7 4 204 205 206 207 M SBL 7 1 206 M SMT 7 OAc M SBV 7 206 0.0000 -0.6187 M STY 1 8 SUP M SLB 1 8 8 M SAL 8 6 215 216 217 218 219 220 M SBL 8 2 215 216 M SMT 8 (CH2)6 M SBV 8 215 0.4641 -0.8038 M SBV 8 216 0.3723 0.8038 M SAP 8 2 215 211 Al 220 214 Br M STY 1 9 SUP M SLB 1 9 9 M SAL 9 3 221 222 223 M SMT 9 D^MF M STY 1 10 SUP M SLB 1 10 10 M SAL 10 4 302 303 304 305 M SBL 10 1 304 M SMT 10 OAc M SBV 10 304 0.0000 -0.8250 M STY 1 11 SUP M SLB 1 11 11 M SAL 11 4 306 307 308 309 M SBL 11 1 308 M SMT 11 OAc M SBV 11 308 -0.7969 -0.2135 M STY 1 12 SUP M SLB 1 12 12 M SAL 12 4 310 311 312 313 M SBL 12 1 312 M SMT 12 OAc M SBV 12 312 0.0000 -0.8250 M STY 1 13 SUP M SLB 1 13 13 M SAL 13 4 314 315 316 317 M SBL 13 1 316 M SMT 13 OAc M SBV 13 316 -0.7969 -0.2135 M STY 1 14 SUP M SLB 1 14 14 M SAL 14 4 318 319 320 321 M SBL 14 1 320 M SMT 14 OAc M SBV 14 320 0.0000 -0.8250 M STY 1 15 SUP M SLB 1 15 15 M SAL 15 4 322 323 324 325 M SBL 15 1 324 M SMT 15 OAc M SBV 15 324 -0.7969 -0.2135 M END